1-cyano-N,N-diethylcyclohexane-1-carboxamide

C12H20N2O — CID 61459029

IUPAC1-cyano-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H20N2O/c1-3-14(4-2)11(15)12(10-13)8-6-5-7-9-12/h3-9H2,1-2H3
InChIKeySQSLUNRPIWTCJM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds3

About 1-cyano-N,N-diethylcyclohexane-1-carboxamide

1-cyano-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 61459029) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyano-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N,N-diethylcyclohexane-1-carboxamide
PubChem CID61459029
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyano-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C12H20N2O/c1-3-14(4-2)11(15)12(10-13)8-6-5-7-9-12/h3-9H2,1-2H3
InChIKeySQSLUNRPIWTCJM-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N,N-diethylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102978850
1-cyano-N,N-dipropylcyclopentane-1-carboxamide
CID 60719042
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 79487122
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 78994668
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
CID 120613726
1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 80598252
1-cyano-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 104551892
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 80599346
1-cyano-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 80599072

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N,N-diethylcyclohexane-1-carboxamide (CID 61459029) is 1-cyano-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is SQSLUNRPIWTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(4-2)11(15)12(10-13)8-6-5-7-9-12/h3-9H2,1-2H3.
What are the key properties of 1-cyano-N,N-diethylcyclohexane-1-carboxamide?
1-cyano-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 61459029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).